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{
"id": "jvasp-42111",
"created_at": "2022-09-04T14:37:31.921529Z",
"updated_at": "2022-09-04T14:37:31.921549Z",
"structure_string": "Ca1 Pm1 Zn2\n1.0\n-0.000007 3.635935 3.635935\n3.635935 -0.000007 3.635935\n3.635935 3.635935 -0.000007\nCa Pm Zn\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750002 0.750002 0.750002 Pm\n0.999984 0.999984 0.999984 Zn\n0.500020 0.500020 0.500020 Zn\n",
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{
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{
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"structure_string": "K2 Li2 Se2\n1.0\n4.475019 0.000000 0.000000\n0.000000 4.475019 0.000000\n0.000000 0.000000 7.201205\nK Li Se\n2 2 2\ndirect\n0.500000 0.000000 0.659098 K\n0.000000 0.500000 0.340901 K\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.193083 Se\n0.000000 0.500000 0.806916 Se\n",
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{
"id": "jvasp-54890",
"created_at": "2022-09-04T14:37:03.839583Z",
"updated_at": "2022-09-04T14:37:03.839603Z",
"structure_string": "Rb2 W6 Cl18\n1.0\n4.653542 -8.060172 0.000000\n4.653544 8.060171 0.000000\n0.000000 0.000000 8.330429\nRb W Cl\n2 6 18\ndirect\n0.333333 0.666667 0.429093 Rb\n0.666667 0.333333 0.570907 Rb\n0.022623 0.827696 0.874102 W\n0.827695 0.805072 0.125898 W\n0.194927 0.022623 0.125898 W\n0.805072 0.977376 0.874102 W\n0.977376 0.172304 0.125898 W\n0.172304 0.194927 0.874102 W\n0.374984 0.421005 0.693633 Cl\n0.625016 0.578995 0.306367 Cl\n0.744458 0.172908 0.001126 Cl\n0.808524 0.783632 0.678518 Cl\n0.172908 0.428450 0.998875 Cl\n0.046021 0.625016 0.693633 Cl\n0.827091 0.571550 0.001126 Cl\n0.024893 0.808524 0.321482 Cl\n0.191475 0.216368 0.321482 Cl\n0.578995 0.953979 0.693633 Cl\n0.783631 0.975106 0.321482 Cl\n0.953979 0.374984 0.306367 Cl\n0.975106 0.191475 0.678518 Cl\n0.255541 0.827092 0.998875 Cl\n0.571550 0.744458 0.998875 Cl\n0.421005 0.046021 0.306367 Cl\n0.216368 0.024894 0.678518 Cl\n0.428450 0.255542 0.001126 Cl\n",
"nsites": 26,
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"elements": [
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"volume": 624.9213708476329,
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"formula_full": "Rb2 W6 Cl18",
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{
"id": "jvasp-11425",
"created_at": "2022-09-04T14:36:33.317127Z",
"updated_at": "2022-09-04T14:36:33.317153Z",
"structure_string": "Ba2 Pr4 Mn2 S10\n1.0\n7.114245 0.000000 -3.529943\n-1.751486 6.895272 -3.529943\n-0.034297 -0.044099 8.864870\nBa Pr Mn S\n2 4 2 10\ndirect\n0.249999 0.250000 0.500000 Ba\n0.749999 0.750000 0.500000 Ba\n0.339099 0.160900 0.000000 Pr\n0.160900 0.660900 -0.000000 Pr\n0.660899 0.839099 -0.000000 Pr\n0.839099 0.339100 0.000000 Pr\n0.249999 0.750000 0.500000 Mn\n0.749999 0.250000 0.500000 Mn\n0.499999 0.500000 -0.000000 S\n0.483742 0.983743 0.269947 S\n0.983742 0.786203 0.269947 S\n0.286203 0.483743 0.269947 S\n0.016257 0.213796 0.730052 S\n0.713795 0.516257 0.730052 S\n0.516256 0.016257 0.730052 S\n0.213796 0.713796 0.730052 S\n0.786203 0.286203 0.269947 S\n0.000000 0.000000 0.000000 S\n",
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"formula_full": "Ba2 Pr4 Mn2 S10",
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{
"id": "jvasp-98029",
"created_at": "2022-09-04T14:35:49.290149Z",
"updated_at": "2022-09-04T14:35:49.290171Z",
"structure_string": "Nd8 N4 Cl12\n1.0\n6.251099 -0.000000 0.000000\n0.000000 6.854459 0.000000\n0.000000 0.000000 13.463579\nNd N Cl\n8 4 12\ndirect\n0.006022 0.823149 0.907545 Nd\n0.493979 0.823149 0.092455 Nd\n0.993979 0.676851 0.407545 Nd\n0.993979 0.176851 0.092455 Nd\n0.493979 0.323149 0.407545 Nd\n0.506022 0.176851 0.907545 Nd\n0.006022 0.323149 0.592455 Nd\n0.506022 0.676851 0.592455 Nd\n0.750000 0.492516 0.500000 N\n0.750000 0.992516 0.000000 N\n0.250000 0.507484 0.500000 N\n0.250000 0.007484 0.000000 N\n0.250000 0.997575 0.500000 Cl\n0.250000 0.497575 0.000000 Cl\n0.911302 0.151237 0.786349 Cl\n0.088698 0.848763 0.213651 Cl\n0.588698 0.651237 0.286349 Cl\n0.411302 0.848763 0.786349 Cl\n0.911302 0.651237 0.713651 Cl\n0.411302 0.348763 0.713651 Cl\n0.588698 0.151237 0.213651 Cl\n0.088698 0.348763 0.286349 Cl\n0.750000 0.502425 0.000000 Cl\n0.750000 0.002425 0.500000 Cl\n",
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{
"id": "jvasp-74902",
"created_at": "2022-09-04T14:35:58.960108Z",
"updated_at": "2022-09-04T14:35:58.960127Z",
"structure_string": "Ca1 Be1 Br2\n1.0\n4.891917 0.000000 0.000000\n0.000000 4.891917 -0.000000\n0.000000 -0.000000 4.018181\nCa Be Br\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.500000 Be\n0.500000 0.000000 0.000000 Br\n0.000000 0.500000 0.000000 Br\n",
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"formula_full": "Ca1 Be1 Br2",
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},
{
"id": "jvasp-96459",
"created_at": "2022-09-04T14:35:41.737556Z",
"updated_at": "2022-09-04T14:35:41.737592Z",
"structure_string": "La2 Ag2 Ge2\n1.0\n4.589043 -0.000000 -0.000000\n-2.294521 3.974227 0.000000\n0.000000 -0.000000 7.908728\nLa Ag Ge\n2 2 2\ndirect\n0.000000 0.000000 0.243241 La\n0.000000 0.000000 0.743241 La\n0.666667 0.333333 0.509552 Ag\n0.333333 0.666668 0.009552 Ag\n0.666667 0.333333 0.956808 Ge\n0.333333 0.666668 0.456808 Ge\n",
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{
"id": "jvasp-40210",
"created_at": "2022-09-04T14:38:31.231827Z",
"updated_at": "2022-09-04T14:38:31.231844Z",
"structure_string": "Ca8 Sn4 S16\n1.0\n6.837899 0.000000 0.000000\n0.000000 7.388111 0.000000\n0.000000 0.000000 13.324179\nCa Sn S\n8 4 16\ndirect\n0.492931 0.897648 0.855655 Ca\n0.992932 0.602352 0.144345 Ca\n0.507069 0.397648 0.644345 Ca\n0.007069 0.102352 0.355655 Ca\n0.507060 0.102350 0.144343 Ca\n0.007060 0.397650 0.855657 Ca\n0.492940 0.602350 0.355657 Ca\n0.992940 0.897650 0.644343 Ca\n-0.000010 -0.000001 -0.000002 Sn\n0.499990 0.500001 0.000002 Sn\n0.000010 0.499999 0.500002 Sn\n0.500010 0.000001 0.499998 Sn\n0.875033 0.542400 0.674873 S\n0.375033 0.957600 0.325127 S\n0.875026 0.957603 0.174874 S\n0.375026 0.542397 0.825126 S\n0.124974 0.457603 0.325126 S\n0.624974 0.042397 0.674874 S\n0.814244 0.694577 0.944902 S\n0.814255 0.805423 0.444901 S\n0.185756 0.194577 0.555098 S\n0.685756 0.305422 0.444902 S\n0.185745 0.305423 0.055099 S\n0.685745 0.194577 0.944901 S\n0.624967 0.457600 0.174873 S\n0.314255 0.694577 0.555099 S\n0.314244 0.805422 0.055098 S\n0.124967 0.042400 0.825127 S\n",
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{
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"created_at": "2022-09-04T14:38:52.031824Z",
"updated_at": "2022-09-04T14:38:52.031855Z",
"structure_string": "Be1 Tl1 Cl1\n1.0\n5.169917 0.000000 0.000000\n-2.584958 4.477279 -0.000000\n0.000000 -0.000000 3.115813\nBe Tl Cl\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.666666 0.333333 0.000000 Tl\n0.333332 0.666666 0.000000 Cl\n",
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{
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"created_at": "2022-09-04T14:35:55.870484Z",
"updated_at": "2022-09-04T14:35:55.870509Z",
"structure_string": "Rb1 V1 P2 S7\n1.0\n6.437347 0.016355 -0.608220\n-0.746002 6.393995 -0.608220\n0.003396 0.003825 6.422323\nRb V P S\n1 1 2 7\ndirect\n0.109980 0.890022 0.500000 Rb\n0.499952 0.500050 0.000000 V\n0.051537 0.345378 0.083359 P\n0.654624 0.948465 0.916641 P\n0.989779 0.010222 0.000000 S\n0.547143 0.186505 0.769502 S\n0.315131 0.369529 0.287077 S\n0.630472 0.684871 0.712923 S\n0.524638 0.856845 0.175264 S\n0.143157 0.475364 0.824736 S\n0.813497 0.452859 0.230497 S\n",
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{
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}